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89375-49-5 | L-Threonine, N-(N-L-leucyl-L-valyl)-
CAS No: 89375-49-5 Catalog No: AG003WFK MDL No:
Product Description
Catalog Number:
AG003WFK
Chemical Name:
L-Threonine, N-(N-L-leucyl-L-valyl)-
CAS Number:
89375-49-5
Molecular Formula:
C15H29N3O5
Molecular Weight:
331.4079
IUPAC Name:
2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C15H29N3O5/c1-7(2)6-10(16)13(20)17-11(8(3)4)14(21)18-12(9(5)19)15(22)23/h7-12,19H,6,16H2,1-5H3,(H,17,20)(H,18,21)(H,22,23)
InChI Key:
QESXLSQLQHHTIX-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)C(C)C)N)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.211g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
331.413g/mol
Monoisotopic Mass:
331.211g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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